CID 6365001

C16H25BOP — CID 6365001

IUPAC—
SMILES[B-][PH+](O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1
InChIInChI=1S/C16H25BOP/c1-12(2)15-10-9-13(3)11-16(15)18-19(17)14-7-5-4-6-8-14/h4-8,12-13,15-16,19H,9-11H2,1-3H3/t13-,15+,16-/m1/s1
InChIKeyOFJKSOHKECBXNM-VNQPRFMTSA-N
MW275.16 g/mol
LogP4.00
Rot. Bonds4

About CID 6365001

CID 6365001 (PubChem CID 6365001) has the molecular formula C16H25BOP and a molecular weight of 275.16 g/mol.

Molecular Properties

Compound NameCID 6365001
PubChem CID6365001
Molecular FormulaC16H25BOP
Molecular Weight275.16 g/mol
Exact Mass275.17
IUPAC Name—
SMILES[B-][PH+](O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1
InChIInChI=1S/C16H25BOP/c1-12(2)15-10-9-13(3)11-16(15)18-19(17)14-7-5-4-6-8-14/h4-8,12-13,15-16,19H,9-11H2,1-3H3/t13-,15+,16-/m1/s1
InChIKeyOFJKSOHKECBXNM-VNQPRFMTSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025
3,3-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]prop-1-ynylbenzene
CID 12964719
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] benzenesulfonate
CID 11033794
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355
ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenyl-sulfanylidene-λ5-phosphane
CID 23415856
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-anilinocarbamate
CID 154685218
2-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 138978245
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene
CID 101180265
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246

Frequently Asked Questions

What is the IUPAC name of CID 6365001?
The IUPAC name of CID 6365001 (CID 6365001) is not available.
What is the SMILES notation for CID 6365001?
The canonical SMILES for CID 6365001 is [B-][PH+](O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1.
What is the InChIKey of CID 6365001?
The InChIKey is OFJKSOHKECBXNM-VNQPRFMTSA-N. The full InChI is InChI=1S/C16H25BOP/c1-12(2)15-10-9-13(3)11-16(15)18-19(17)14-7-5-4-6-8-14/h4-8,12-13,15-16,19H,9-11H2,1-3H3/t13-,15+,16-/m1/s1.
What are the key properties of CID 6365001?
CID 6365001 has a molecular weight of 275.16 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6365001 is sourced from PubChem (CID 6365001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).